CID 119010313

2,4-difluoro-6-methylbenzonitrile

Structural Information

Molecular Formula
C8H5F2N
SMILES
CC1=CC(=CC(=C1C#N)F)F
InChI
InChI=1S/C8H5F2N/c1-5-2-6(9)3-8(10)7(5)4-11/h2-3H,1H3
InChIKey
CMFZJAGSBWDFCO-UHFFFAOYSA-N
Compound name
2,4-difluoro-6-methylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 123.2
[M+Na]+ 176.02822 135.6
[M-H]- 152.03172 125.0
[M+NH4]+ 171.07282 142.9
[M+K]+ 192.00216 132.4
[M+H-H2O]+ 136.03626 110.4
[M+HCOO]- 198.03720 142.7
[M+CH3COO]- 212.05285 191.0
[M+Na-2H]- 174.01367 128.8
[M]+ 153.03845 116.7
[M]- 153.03955 116.7
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.