CID 12883709

73139-85-2

Structural Information

Molecular Formula
C10H7FN2
SMILES
C1=CC2=C(C=C1F)C(=CN2)CC#N
InChI
InChI=1S/C10H7FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3H2
InChIKey
HHMIZCBOTYJRQU-UHFFFAOYSA-N
Compound name
2-(5-fluoro-1H-indol-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

174.05933 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06661 135.1
[M+Na]+ 197.04855 148.0
[M-H]- 173.05205 135.7
[M+NH4]+ 192.09315 154.4
[M+K]+ 213.02249 141.6
[M+H-H2O]+ 157.05659 121.7
[M+HCOO]- 219.05753 154.0
[M+CH3COO]- 233.07318 147.4
[M+Na-2H]- 195.03400 141.3
[M]+ 174.05878 129.5
[M]- 174.05988 129.5
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