CID 2736728

148901-53-5

Structural Information

Molecular Formula
C10H9FN2O
SMILES
CN(C)C1=C(C(=C(C=C1)C=O)F)C#N
InChI
InChI=1S/C10H9FN2O/c1-13(2)9-4-3-7(6-14)10(11)8(9)5-12/h3-4,6H,1-2H3
InChIKey
ZGQREXNGDAXSQI-UHFFFAOYSA-N
Compound name
6-(dimethylamino)-2-fluoro-3-formylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

192.06989 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.077166 138.1
[M+Na]+ 215.059108 149.1
[M-H]- 191.062614 142.0
[M+NH4]+ 210.103713 156.4
[M+K]+ 231.033048 147.0
[M+H-H2O]+ 175.067150 124.9
[M+HCOO]- 237.068091 159.4
[M+CH3COO]- 251.083741 202.4
[M+Na-2H]- 213.044556 142.3
[M]+ 192.06934142 134.2
[M]- 192.07043858 134.2
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