CID 59154

Naphtho(1,2-b)furan, 2,3-dihydro-2,2-difluoro-3-difluoromethylene-

Structural Information

Molecular Formula
C13H6F4O
SMILES
C1=CC=C2C(=C1)C=CC3=C2OC(C3=C(F)F)(F)F
InChI
InChI=1S/C13H6F4O/c14-12(15)10-9-6-5-7-3-1-2-4-8(7)11(9)18-13(10,16)17/h1-6H
InChIKey
HCUKEXAHYWBXIJ-UHFFFAOYSA-N
Compound name
3-(difluoromethylidene)-2,2-difluorobenzo[g][1]benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.03548 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.04276 149.1
[M+Na]+ 277.02470 161.0
[M-H]- 253.02820 150.9
[M+NH4]+ 272.06930 171.0
[M+K]+ 292.99864 156.3
[M+H-H2O]+ 237.03274 140.6
[M+HCOO]- 299.03368 165.6
[M+CH3COO]- 313.04933 161.9
[M+Na-2H]- 275.01015 153.7
[M]+ 254.03493 144.9
[M]- 254.03603 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.