CID 154728321

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

Structural Information

Molecular Formula
C9H7BrFNO
SMILES
C1=C2C=C(NC2=C(C=C1F)Br)CO
InChI
InChI=1S/C9H7BrFNO/c10-8-3-6(11)1-5-2-7(4-13)12-9(5)8/h1-3,12-13H,4H2
InChIKey
GCRLVRKJQOIKMH-UHFFFAOYSA-N
Compound name
(7-bromo-5-fluoro-1H-indol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.9695 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.97678 143.7
[M+Na]+ 265.95872 158.3
[M-H]- 241.96222 147.0
[M+NH4]+ 261.00332 165.7
[M+K]+ 281.93266 145.3
[M+H-H2O]+ 225.96676 143.7
[M+HCOO]- 287.96770 162.9
[M+CH3COO]- 301.98335 158.8
[M+Na-2H]- 263.94417 150.6
[M]+ 242.96895 161.5
[M]- 242.97005 161.5
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

No patent data available for this compound.