CID 2761205

1-(difluoromethyl)-2-fluorobenzene

Structural Information

Molecular Formula
C7H5F3
SMILES
C1=CC=C(C(=C1)C(F)F)F
InChI
InChI=1S/C7H5F3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,7H
InChIKey
DBXNELKUWAMRKY-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

573
Patents

146.03433 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.04161 121.9
[M+Na]+ 169.02355 131.0
[M-H]- 145.02705 122.1
[M+NH4]+ 164.06815 143.4
[M+K]+ 184.99749 128.9
[M+H-H2O]+ 129.03159 114.3
[M+HCOO]- 191.03253 143.0
[M+CH3COO]- 205.04818 175.7
[M+Na-2H]- 167.00900 127.7
[M]+ 146.03378 117.3
[M]- 146.03488 117.3
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