CID 11829631

2-fluoro-4-(hydroxymethyl)benzonitrile

Structural Information

Molecular Formula
C8H6FNO
SMILES
C1=CC(=C(C=C1CO)F)C#N
InChI
InChI=1S/C8H6FNO/c9-8-3-6(5-11)1-2-7(8)4-10/h1-3,11H,5H2
InChIKey
WLQHJQUGYACADR-UHFFFAOYSA-N
Compound name
2-fluoro-4-(hydroxymethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
Patents

151.04333 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05061 127.1
[M+Na]+ 174.03255 138.3
[M-H]- 150.03605 128.7
[M+NH4]+ 169.07715 146.0
[M+K]+ 190.00649 135.0
[M+H-H2O]+ 134.04059 115.1
[M+HCOO]- 196.04153 146.4
[M+CH3COO]- 210.05718 186.8
[M+Na-2H]- 172.01800 133.2
[M]+ 151.04278 121.0
[M]- 151.04388 121.0
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

patents stripe