CID 69408498

(5-fluoro-1h-indol-2-yl)methanol

Structural Information

Molecular Formula
C9H8FNO
SMILES
C1=CC2=C(C=C1F)C=C(N2)CO
InChI
InChI=1S/C9H8FNO/c10-7-1-2-9-6(3-7)4-8(5-12)11-9/h1-4,11-12H,5H2
InChIKey
GNKLLFOAQDNTKH-UHFFFAOYSA-N
Compound name
(5-fluoro-1H-indol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

165.05899 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.066266 129.3
[M+Na]+ 188.048208 140.3
[M-H]- 164.051714 129.6
[M+NH4]+ 183.092813 150.8
[M+K]+ 204.022148 135.7
[M+H-H2O]+ 148.056250 123.2
[M+HCOO]- 210.057191 151.0
[M+CH3COO]- 224.072841 143.2
[M+Na-2H]- 186.033656 136.4
[M]+ 165.05844142 128.2
[M]- 165.05953858 128.2
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