CID 155822498

2-chloro-6,8-difluoroquinazoline

Structural Information

Molecular Formula
C8H3ClF2N2
SMILES
C1=C(C=C(C2=NC(=NC=C21)Cl)F)F
InChI
InChI=1S/C8H3ClF2N2/c9-8-12-3-4-1-5(10)2-6(11)7(4)13-8/h1-3H
InChIKey
XWMZTIUHRJIWBC-UHFFFAOYSA-N
Compound name
2-chloro-6,8-difluoroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.99529 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00257 132.8
[M+Na]+ 222.98451 145.9
[M-H]- 198.98801 132.7
[M+NH4]+ 218.02911 151.9
[M+K]+ 238.95845 140.3
[M+H-H2O]+ 182.99255 124.6
[M+HCOO]- 244.99349 148.2
[M+CH3COO]- 259.00914 146.4
[M+Na-2H]- 220.96996 141.1
[M]+ 199.99474 133.1
[M]- 199.99584 133.1
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.