CID 21850148

13544-09-7

Structural Information

Molecular Formula
C10H6F3NO
SMILES
C1=CC2=C(C=C1C(F)(F)F)NC=C2C=O
InChI
InChI=1S/C10H6F3NO/c11-10(12,13)7-1-2-8-6(5-15)4-14-9(8)3-7/h1-5,14H
InChIKey
BOCHZCCEJLKHMZ-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

213.04015 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04743 139.1
[M+Na]+ 236.02937 150.9
[M-H]- 212.03287 138.2
[M+NH4]+ 231.07397 159.2
[M+K]+ 252.00331 145.9
[M+H-H2O]+ 196.03741 131.2
[M+HCOO]- 258.03835 158.3
[M+CH3COO]- 272.05400 182.8
[M+Na-2H]- 234.01482 145.5
[M]+ 213.03960 136.6
[M]- 213.04070 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe