CID 18677151

2-fluoro-6-methylbenzonitrile

Structural Information

Molecular Formula
C8H6FN
SMILES
CC1=C(C(=CC=C1)F)C#N
InChI
InChI=1S/C8H6FN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,1H3
InChIKey
UCSKOUQDVWADGZ-UHFFFAOYSA-N
Compound name
2-fluoro-6-methylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

268
Patents

135.04843 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.055706 122.9
[M+Na]+ 158.037648 134.5
[M-H]- 134.041154 125.7
[M+NH4]+ 153.082253 143.1
[M+K]+ 174.011588 131.5
[M+H-H2O]+ 118.045690 110.8
[M+HCOO]- 180.046631 143.3
[M+CH3COO]- 194.062281 187.5
[M+Na-2H]- 156.023096 129.5
[M]+ 135.04788142 117.2
[M]- 135.04897858 117.2
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