CID 3853570

3-chloro-5-fluoro-4-methoxybenzonitrile

Structural Information

Molecular Formula
C8H5ClFNO
SMILES
COC1=C(C=C(C=C1Cl)C#N)F
InChI
InChI=1S/C8H5ClFNO/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3H,1H3
InChIKey
DMZLTRBVBZNQKR-UHFFFAOYSA-N
Compound name
3-chloro-5-fluoro-4-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

185.00436 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.01164 131.0
[M+Na]+ 207.99358 144.7
[M+NH4]+ 203.03818 136.3
[M+K]+ 223.96752 134.7
[M-H]- 183.99708 124.9
[M+Na-2H]- 205.97903 135.6
[M]+ 185.00381 130.7
[M]- 185.00491 130.7
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

patents stripe