CID 24820441

3,4-difluoro-2-methylbenzonitrile

Structural Information

Molecular Formula
C8H5F2N
SMILES
CC1=C(C=CC(=C1F)F)C#N
InChI
InChI=1S/C8H5F2N/c1-5-6(4-11)2-3-7(9)8(5)10/h2-3H,1H3
InChIKey
LMGHUTIUVKVZNH-UHFFFAOYSA-N
Compound name
3,4-difluoro-2-methylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

153.039 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04628 131.7
[M+Na]+ 176.02822 144.3
[M+NH4]+ 171.07282 136.3
[M+K]+ 192.00216 134.2
[M-H]- 152.03172 124.4
[M+Na-2H]- 174.01367 135.5
[M]+ 153.03845 130.6
[M]- 153.03955 130.6
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