CID 115405646

1551863-96-7

Structural Information

Molecular Formula
C7H11F2N3
SMILES
CN1C=NC=C1CNCC(F)F
InChI
InChI=1S/C7H11F2N3/c1-12-5-11-3-6(12)2-10-4-7(8)9/h3,5,7,10H,2,4H2,1H3
InChIKey
QFISUXSIVBGPCW-UHFFFAOYSA-N
Compound name
2,2-difluoro-N-[(3-methylimidazol-4-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0921 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09938 134.0
[M+Na]+ 198.08132 142.0
[M-H]- 174.08482 132.4
[M+NH4]+ 193.12592 153.1
[M+K]+ 214.05526 140.2
[M+H-H2O]+ 158.08936 124.8
[M+HCOO]- 220.09030 155.2
[M+CH3COO]- 234.10595 183.0
[M+Na-2H]- 196.06677 138.2
[M]+ 175.09155 131.6
[M]- 175.09265 131.6
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

No patent data available for this compound.