CID 3847701

478079-32-2

Structural Information

Molecular Formula
C11H10ClF2NO
SMILES
CN1C=C(C2=CC=CC=C21)C(C(F)(F)Cl)O
InChI
InChI=1S/C11H10ClF2NO/c1-15-6-8(10(16)11(12,13)14)7-4-2-3-5-9(7)15/h2-6,10,16H,1H3
InChIKey
QLSSCVGNLZEJLF-UHFFFAOYSA-N
Compound name
2-chloro-2,2-difluoro-1-(1-methylindol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.0419 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04918 148.1
[M+Na]+ 268.03112 159.5
[M-H]- 244.03462 148.2
[M+NH4]+ 263.07572 167.8
[M+K]+ 284.00506 153.9
[M+H-H2O]+ 228.03916 141.5
[M+HCOO]- 290.04010 162.2
[M+CH3COO]- 304.05575 189.2
[M+Na-2H]- 266.01657 152.9
[M]+ 245.04135 149.3
[M]- 245.04245 149.3
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.