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

4031
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.