CID 61385066

3-(3-fluoro-4-methoxyphenyl)propanenitrile

Structural Information

Molecular Formula
C10H10FNO
SMILES
COC1=C(C=C(C=C1)CCC#N)F
InChI
InChI=1S/C10H10FNO/c1-13-10-5-4-8(3-2-6-12)7-9(10)11/h4-5,7H,2-3H2,1H3
InChIKey
KPDMMCJTGMZNOK-UHFFFAOYSA-N
Compound name
3-(3-fluoro-4-methoxyphenyl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

179.07465 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08193 133.6
[M+Na]+ 202.06387 144.4
[M-H]- 178.06737 136.0
[M+NH4]+ 197.10847 152.1
[M+K]+ 218.03781 141.4
[M+H-H2O]+ 162.07191 120.9
[M+HCOO]- 224.07285 153.6
[M+CH3COO]- 238.08850 194.7
[M+Na-2H]- 200.04932 139.3
[M]+ 179.07410 129.8
[M]- 179.07520 129.8
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