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

124
Patents

192.06989 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07717 138.1
[M+Na]+ 215.05911 149.1
[M-H]- 191.06261 142.0
[M+NH4]+ 210.10371 156.4
[M+K]+ 231.03305 147.0
[M+H-H2O]+ 175.06715 124.9
[M+HCOO]- 237.06809 159.4
[M+CH3COO]- 251.08374 202.4
[M+Na-2H]- 213.04456 142.3
[M]+ 192.06934 134.2
[M]- 192.07044 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