CID 640452

(difluoromethyl)benzene

Structural Information

Molecular Formula
C7H6F2
SMILES
C1=CC=C(C=C1)C(F)F
InChI
InChI=1S/C7H6F2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
InChIKey
JDZLOJYSBBLXQD-UHFFFAOYSA-N
Compound name
difluoromethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3938
Patents

128.04376 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05104 119.8
[M+Na]+ 151.03298 127.9
[M-H]- 127.03648 121.0
[M+NH4]+ 146.07758 141.8
[M+K]+ 167.00692 126.2
[M+H-H2O]+ 111.04102 113.0
[M+HCOO]- 173.04196 141.9
[M+CH3COO]- 187.05761 171.8
[M+Na-2H]- 149.01843 126.9
[M]+ 128.04321 116.0
[M]- 128.04431 116.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe