CID 118811882

1-bromo-3-(difluoromethyl)naphthalene

Structural Information

Molecular Formula
C11H7BrF2
SMILES
C1=CC=C2C(=C1)C=C(C=C2Br)C(F)F
InChI
InChI=1S/C11H7BrF2/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h1-6,11H
InChIKey
PSWCNBZMJHEGKC-UHFFFAOYSA-N
Compound name
1-bromo-3-(difluoromethyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

255.96992 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.97720 147.9
[M+Na]+ 278.95914 160.4
[M-H]- 254.96264 152.9
[M+NH4]+ 274.00374 169.7
[M+K]+ 294.93308 148.4
[M+H-H2O]+ 238.96718 146.8
[M+HCOO]- 300.96812 166.2
[M+CH3COO]- 314.98377 193.2
[M+Na-2H]- 276.94459 154.9
[M]+ 255.96937 163.9
[M]- 255.97047 163.9
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

patents stripe