CID 84076308

5-chloro-6-fluoro-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C9H5ClFNO
SMILES
C1=C2C(=CC(=C1Cl)F)NC=C2C=O
InChI
InChI=1S/C9H5ClFNO/c10-7-1-6-5(4-13)3-12-9(6)2-8(7)11/h1-4,12H
InChIKey
BCBXXZSUPVGPFQ-UHFFFAOYSA-N
Compound name
5-chloro-6-fluoro-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

197.00436 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.01164 134.2
[M+Na]+ 219.99358 147.6
[M-H]- 195.99708 135.9
[M+NH4]+ 215.03818 156.0
[M+K]+ 235.96752 141.4
[M+H-H2O]+ 180.00162 128.6
[M+HCOO]- 242.00256 152.8
[M+CH3COO]- 256.01821 148.7
[M+Na-2H]- 217.97903 140.4
[M]+ 197.00381 136.5
[M]- 197.00491 136.5
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