CID 155943315

(7-bromoquinazolin-2-yl)methanol

Structural Information

Molecular Formula
C9H7BrN2O
SMILES
C1=CC2=CN=C(N=C2C=C1Br)CO
InChI
InChI=1S/C9H7BrN2O/c10-7-2-1-6-4-11-9(5-13)12-8(6)3-7/h1-4,13H,5H2
InChIKey
CQPDSVRECGHOMS-UHFFFAOYSA-N
Compound name
(7-bromoquinazolin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.97418 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.98146 141.9
[M+Na]+ 260.96340 147.2
[M+NH4]+ 256.00800 147.0
[M+K]+ 276.93734 146.4
[M-H]- 236.96690 142.3
[M+Na-2H]- 258.94885 146.2
[M]+ 237.97363 141.6
[M]- 237.97473 141.6
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.